BaF2

Barium fluoride · VFG

Barium fluoride is a stable, wide-gap insulating crystal valued for its exceptional optical transparency.

BaF
Crystal structure of BaF2
Ground-state structure · Materials Project
Overview

About Barium fluoride

Barium fluoride is a robust, thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a wide-gap material, it remains highly transparent across a significant portion of the electromagnetic spectrum, making it an essential component in specialized optical engineering.

Its structural reliability is underscored by its extensive representation across various materials databases. This stability allows it to function effectively in demanding environments where optical clarity and material integrity are paramount for high-precision instrumentation.

At a glance

Key Properties

Cross-validated computational properties for Barium fluoride, aggregated across 4 databases.

Band Gap

5.93–6.86 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

81
4 databases, 16 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting BaF2.

Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Barium fluoride is used.

Optical windowsLenses for infrared spectroscopyScintillation detectorsLaser components
Intellectual Property

Patent Landscape

2 patents reference BaF2 or close compositional variants.

PatentTitleAssigneeGranted
5545247Particulate CaF.sub.2 and BaF.sub.2 agent for improving the machinability of sintered iron-based powder
4040896Chemical polish for BaF.sub.2 and CaF.sub.2
Reference

Frequently Asked Questions

Common questions about Barium fluoride, answered from cross-validated data.

What is BaF2?

Barium fluoride is a stable, wide-gap insulating crystal valued for its exceptional optical transparency.

More questions
What is BaF2 used for?
Barium fluoride (BaF2) is used in optical windows, lenses for infrared spectroscopy, scintillation detectors, and laser components.
What is the band gap of BaF2?
Barium fluoride (BaF2) has a DFT-computed band gap of 5.93–6.86 eV across 81 reported structures.
Is BaF2 a metal, semiconductor, or insulator?
With a wide band gap up to 6.86 eV it is an insulator / wide-band-gap material.
Is BaF2 thermodynamically stable?
Yes — Barium fluoride (BaF2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of BaF2 are known?
81 structures of BaF2 are reported across 4 databases, spanning 16 distinct space groups.
How is BaF2 synthesized?
Literature-reported routes for BaF2 include solid state (4 procedures documented).
What elements does BaF2 contain?
Barium fluoride (BaF2) contains Ba and F (2 elements).
Where does the data for BaF2 come from?
BaF2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a prominent inorganic fluoride, this compound serves as a benchmark for stability and optical performance within its class of alkaline earth halides, maintaining high structural integrity in diverse synthetic conditions.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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